基于网络药理学的续断抗骨质疏松分子作用机制研究  

Investigation of the mechanism of osteoporosis treated by XuDuan based on network pharmacology

作　　者：阚雪纯 何润东 葛佳颖 吴俊 苗登顺[1] KAN Xuechun;HE Rundong;GE Jiaying;WU Jun;MIAO Dengshun(Department of Human Anatomy,School of Basic Medicine,Nanjing Medical University,Nanjing 211166,China)

机构地区：[1]南京医科大学基础医学院人体解剖学系,江苏南京211166

出　　处：《南京医科大学学报（自然科学版）》2022年第1期35-40,共6页Journal of Nanjing Medical University(Natural Sciences)

基　　金：国家自然科学基金(81600697,81730066)。

摘　　要：目的:基于网络药理学探讨续断治疗骨质疏松症(osteoporosis,OP)的作用机制。方法:通过中药系统药理学数据库和分析平台(TCMSP),以药代动力学特征为标准获取续断的活性成分,并预测相关活性成分的作用靶点;与GeneCards和DisGeNET数据库获取的骨质疏松疾病靶点映射,筛选续断治疗OP的潜在靶点。利用STRING数据库和Cytoscape软件构建中药-活性成分-疾病-靶标调控网络和潜在靶点间的蛋白互作网络。同时通过Enrichr在线工具进行潜在靶点的GO分析以及KEGG通路富集分析。最后通过AutoDock Vina软件将续断活性成分与重要的靶蛋白进行分子对接验证。结果:共获得续断活性化合物8个,根据靶点预测技术预测出相关靶点53个,与疾病靶点映射得续断-OP疾病交集靶点14个。富集分析显示续断可通过多条主流信号通路及细胞代谢过程调控OP的发生发展。分子对接实验证实续断的活性成分和靶标之间具有良好的结合能力。结论:续断除了通过直接作用骨代谢相关途径,还参与调控上下游多条信号通路,从而干预OP的进展。Objective:To investigate the mechanism of XuDuan in the treatment of osteoporosis(OP).Methods:The pharmacokinetic characteristics were used as the standard to obtain the active components of the XuDuan and predict the target of the relevant active components through Traditional Chinese Medicine Systems Pharmacology Database(TCMSP),and the targets of osteoporosis obtained from the GeneCards and DisGeNET databases were intersected to screen out potential targets for the treatment of osteoporosis by XuDuan.Using the String database and Cytoscape software,we built a drug-active ingredient-osteoporosis-potential target network and a protein-protein interaction network between potential targets.Then,the gene ontology(GO)biological function and Kyoto Encyclopedia of Genes and Gnomes(KEGG)pathway enrichment of potential targets were analyzed through the Enrichr databases.At last,molecular docking of the active ingredients of XuDuan with important target proteins was verified by AutoDock Vina software.Results:A total of 8 XuDuan active compounds were screened while 53 related targets were obtained by using the related target prediction technique.Also mapping with disease targets,14 XuDuan-OP disease intersection targets were sifted.Enrichment analysis shows that XuDuan can regulate the development of OP through multiple mainstream signal pathways and cellular metabolic processes.At last,high molecular docking scores between active components and targets were obtained.Conclusion:In addition to directly acting on bone metabolism-related pathways,XuDuan is also involved in regulating multiple upstream and downstream signaling pathways,thereby intervening in the progress of OP.

关 键 词：续断 骨质疏松症 信号通路 网络药理学 分子机制 

分 类 号：R681[医药卫生—骨科学]